sodium;2-hydroxypropane-1,2,3-tricarboxylate;thorium(4+)

C6H5NaO7Th+2 — CID 3056942

IUPACsodium;2-hydroxypropane-1,2,3-tricarboxylate;thorium(4+)
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Na+].[Th+4]
InChIInChI=1S/C6H8O7.Na.Th/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;+1;+4/p-3
InChIKeyKIPNXNQHLFKRCV-UHFFFAOYSA-K
MW444.13 g/mol
LogP-8.25
Rot. Bonds5

About sodium;2-hydroxypropane-1,2,3-tricarboxylate;thorium(4+)

sodium;2-hydroxypropane-1,2,3-tricarboxylate;thorium(4+) (PubChem CID 3056942) has the molecular formula C6H5NaO7Th+2 and a molecular weight of 444.13 g/mol. Its IUPAC name is sodium;2-hydroxypropane-1,2,3-tricarboxylate;thorium(4+).

Molecular Properties

Compound Namesodium;2-hydroxypropane-1,2,3-tricarboxylate;thorium(4+)
PubChem CID3056942
Molecular FormulaC6H5NaO7Th+2
Molecular Weight444.13 g/mol
Exact Mass444.03
IUPAC Namesodium;2-hydroxypropane-1,2,3-tricarboxylate;thorium(4+)
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Na+].[Th+4]
InChIInChI=1S/C6H8O7.Na.Th/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;+1;+4/p-3
InChIKeyKIPNXNQHLFKRCV-UHFFFAOYSA-K
XLogP-8.25
TPSA140.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.13
LogP ≤ 5-8.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

nonasodium;tris(2-hydroxypropane-1,2,3-tricarboxylate);hydrate
CID 172827703
sodium;2-hydroxypropane-1,2,3-tricarboxylate;nickel(2+)
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aluminum;sodium;2-hydroxypropane-1,2,3-tricarboxylate
CID 23327033
dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate
CID 15251596
sodium;carbanide;2-hydroxypropane-1,2,3-tricarboxylate
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trisodium;hydroxylamine;2-hydroxypropane-1,2,3-tricarboxylate
CID 159887445
hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide
CID 19774871
tris(barium(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)
CID 90472924
2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
CID 22361291
bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate
CID 21120021
dysprosium(3+);2-hydroxypropane-1,2,3-tricarboxylate
CID 25679
trisodium;2-hydroxypropane-1,2,3-tricarboxylate;phosphorous acid
CID 173423039

Frequently Asked Questions

What is the IUPAC name of sodium;2-hydroxypropane-1,2,3-tricarboxylate;thorium(4+)?
The IUPAC name of sodium;2-hydroxypropane-1,2,3-tricarboxylate;thorium(4+) (CID 3056942) is sodium;2-hydroxypropane-1,2,3-tricarboxylate;thorium(4+).
What is the SMILES notation for sodium;2-hydroxypropane-1,2,3-tricarboxylate;thorium(4+)?
The canonical SMILES for sodium;2-hydroxypropane-1,2,3-tricarboxylate;thorium(4+) is O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Na+].[Th+4].
What is the InChIKey of sodium;2-hydroxypropane-1,2,3-tricarboxylate;thorium(4+)?
The InChIKey is KIPNXNQHLFKRCV-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H8O7.Na.Th/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;+1;+4/p-3.
What are the key properties of sodium;2-hydroxypropane-1,2,3-tricarboxylate;thorium(4+)?
sodium;2-hydroxypropane-1,2,3-tricarboxylate;thorium(4+) has a molecular weight of 444.13 g/mol, XLogP of -8.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-hydroxypropane-1,2,3-tricarboxylate;thorium(4+) is sourced from PubChem (CID 3056942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).